Toward the discovery of inhibitors of babesipain-1, a Babesia bigemina cysteine protease: in vitro evaluation, homology modeling and molecular docking studies.
Bianca PérezSandra AntunesLídia M. GonçalvesAna DomingosJosé R. B. GomesPaula GomesCátia TeixeiraPublished in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
- hiv protease
- sequence analysis
- coarse grained
- fine grained
- protein protein interactions
- drug resistance
- sequence data
- evaluation method
- human immunodeficiency virus
- digital images
- knowledge discovery
- drug design
- empirical studies
- data sets
- protein sequences
- support vector machine
- linear support vector machines
- model validation
- machine learning
- neural network
- quantitative structure activity